| CAS Number | 390815-35-7 |
| Catalog Number | AG019MMG(AGN-PC-0RIKAO) |
| Chemical Name | 1-(4-Ethoxy-3-methoxyphenyl)ethan-1-amine hydrochloride |
| IUPAC Name | 1-(4-ethoxy-3-methoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-4-14-10-6-5-9(8(2)12)7-11(10)13-3;/h5-8H,4,12H2,1-3H3;1H |
| InChI Key | HIPCAHAXOHSGRI-UHFFFAOYSA-N |
| MDL Number | MFCD10686921 |
| Molecular Formula | C11H18ClNO2 |
| Molecular Weight | 231.7191 |
| SMILES | Cl.CCOC1=C(OC)C=C(C(N)C)C=C1 |
| Synonyms | 1-(4-ethoxy-3-methoxyphenyl)ethan-1-amine hydrochloride,
390815-35-7,
1-(4-ethoxy-3-methoxyphenyl)ethanamine hydrochloride,
AC1Q39YL,
SCHEMBL5775265,
CTK6G2507,
AKOS008099826,
MCULE-3045657117,
NE45848,
EN300-36609,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.72g/mol |
| Monoisotopic Mass | 231.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number